2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide

C14H20N2O2 — CID 143245392

IUPAC2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@@H](CO)CC[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2O2/c15-14(18)9-16-8-11(10-17)6-7-13(16)12-4-2-1-3-5-12/h1-5,11,13,17H,6-10H2,(H2,15,18)/t11-,13-/m0/s1
InChIKeyPEGOUCAIIFMYOQ-AAEUAGOBSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds4

About 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide

2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide (PubChem CID 143245392) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide
PubChem CID143245392
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@@H](CO)CC[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2O2/c15-14(18)9-16-8-11(10-17)6-7-13(16)12-4-2-1-3-5-12/h1-5,11,13,17H,6-10H2,(H2,15,18)/t11-,13-/m0/s1
InChIKeyPEGOUCAIIFMYOQ-AAEUAGOBSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide?
The IUPAC name of 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide (CID 143245392) is 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide is NC(=O)CN1C[C@@H](CO)CC[C@H]1c1ccccc1.
What is the InChIKey of 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide?
The InChIKey is PEGOUCAIIFMYOQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(18)9-16-8-11(10-17)6-7-13(16)12-4-2-1-3-5-12/h1-5,11,13,17H,6-10H2,(H2,15,18)/t11-,13-/m0/s1.
What are the key properties of 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide?
2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-(hydroxymethyl)-2-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 143245392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).